HMDB0001353
     RDKit          3D
2-Keto-3-deoxy-D-gluconic acid
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.0193   -1.3346   -1.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495   -0.3287   -0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3854    0.2780   -0.2792 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0202    0.2238    0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1333    1.2264    1.0312 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6849   -0.4130    0.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3480    0.3276    0.9752 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4367    1.6540    0.5619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7108   -0.3046    0.8414 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6300   -1.6354    1.2534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2265   -0.2126   -0.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2852    1.1437   -0.9226 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6029    0.7616    0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7265   -1.4680    0.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3788   -0.2983   -0.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0320    0.3267    2.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    1.7994   -0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4253    0.2249    1.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655   -2.1838    0.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5778   -0.7581   -1.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2464   -0.6488   -0.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9185    1.6199   -0.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  3 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  1
  8 17  1  0
  9 18  1  1
 10 19  1  0
 11 20  1  0
 11 21  1  0
 12 22  1  0
M  END